N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide

C19H20FN3O4 — CID 52514064

IUPACN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(F)cc3)C2=O)o1
InChIInChI=1S/C19H20FN3O4/c1-11-4-9-15(27-11)19(3)17(25)23(18(26)22-19)10-16(24)21-12(2)13-5-7-14(20)8-6-13/h4-9,12H,10H2,1-3H3,(H,21,24)(H,22,26)/t12-,19+/m1/s1
InChIKeyOJSMCJHALNPTTF-BLVKFPJESA-N
MW373.38 g/mol
LogP2.37
Rot. Bonds5

About N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 52514064) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID52514064
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC NameN-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(F)cc3)C2=O)o1
InChIInChI=1S/C19H20FN3O4/c1-11-4-9-15(27-11)19(3)17(25)23(18(26)22-19)10-16(24)21-12(2)13-5-7-14(20)8-6-13/h4-9,12H,10H2,1-3H3,(H,21,24)(H,22,26)/t12-,19+/m1/s1
InChIKeyOJSMCJHALNPTTF-BLVKFPJESA-N
XLogP2.37
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 52514064) is N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide is Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C)c3ccc(F)cc3)C2=O)o1.
What is the InChIKey of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is OJSMCJHALNPTTF-BLVKFPJESA-N. The full InChI is InChI=1S/C19H20FN3O4/c1-11-4-9-15(27-11)19(3)17(25)23(18(26)22-19)10-16(24)21-12(2)13-5-7-14(20)8-6-13/h4-9,12H,10H2,1-3H3,(H,21,24)(H,22,26)/t12-,19+/m1/s1.
What are the key properties of N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 373.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[(4S)-4-methyl-4-(5-methylfuran-2-yl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 52514064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).